Information card for entry 1516156

Structure parameters

• Formula: C22 H38 Al4 N2 O2
• Calculated formula: C22 H38 Al4 N2 O2
• SMILES: [Al]1([N]2([Al]([O](c3c2cccc3)C)(C)C)[Al]([N]12[Al]([O](c1c2cccc1)C)(C)C)(C)C)(C)C
• Title of publication: Organoaluminium complexes of ortho-, meta-, para-anisidines: synthesis, structural studies and ROP of ε-caprolactone (and rac-lactide)
• Authors of publication: Li, Yuanzhuo; Zhao, Ke-Qing; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Mo, Shanyan; Redshaw, Carl
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 9
• Pages of publication: 3025
• a: 8.751 ± 0.0007 Å
• b: 15.3173 ± 0.0012 Å
• c: 10.1026 ± 0.0008 Å
• α: 90°
• β: 90.1329 ± 0.0013°
• γ: 90°
• Cell volume: 1354.17 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No